2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate

C33H38N2O8 — CID 151582841

About 2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate

2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate (PubChem CID 151582841) has the molecular formula C33H38N2O8 and a molecular weight of 590.67 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate.

Molecular Properties

• Compound Name: 2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate
• PubChem CID: 151582841
• Molecular Formula: C33H38N2O8
• Molecular Weight: 590.67 g/mol
• Exact Mass: 590.26
• IUPAC Name: 2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate
• SMILES: COc1ccc2c(c1)C(CC(=O)NCc1ccco1)=C(C)/C2=C/c1cc(OC)c(OCC(=O)OCCN(C)C)c(OC)c1
• InChI: InChI=1S/C33H38N2O8/c1-21-26(14-22-15-29(39-5)33(30(16-22)40-6)43-20-32(37)42-13-11-35(2)3)25-10-9-23(38-4)17-28(25)27(21)18-31(36)34-19-24-8-7-12-41-24/h7-10,12,14-17H,11,13,18-20H2,1-6H3,(H,34,36)/b26-14-
• InChIKey: QGWARYQZLZWGTA-WGARJPEWSA-N
• XLogP: 4.82
• TPSA: 108.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.67
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate?

The IUPAC name of 2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate (CID 151582841) is 2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate.

What is the SMILES notation for 2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate?

The canonical SMILES for 2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate is COc1ccc2c(c1)C(CC(=O)NCc1ccco1)=C(C)/C2=C/c1cc(OC)c(OCC(=O)OCCN(C)C)c(OC)c1.

What is the InChIKey of 2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate?

The InChIKey is QGWARYQZLZWGTA-WGARJPEWSA-N. The full InChI is InChI=1S/C33H38N2O8/c1-21-26(14-22-15-29(39-5)33(30(16-22)40-6)43-20-32(37)42-13-11-35(2)3)25-10-9-23(38-4)17-28(25)27(21)18-31(36)34-19-24-8-7-12-41-24/h7-10,12,14-17H,11,13,18-20H2,1-6H3,(H,34,36)/b26-14-.

What are the key properties of 2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate?

2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate has a molecular weight of 590.67 g/mol, XLogP of 4.82, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate is sourced from PubChem (CID 151582841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).